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6,7-dihydro-5-(m-methylbenzylidene)-2-(methylthio)-4-m-tolyl-5H-cyclopentapyrimidine

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6,7-dihydro-5-(m-methylbenzylidene)-2-(methylthio)-4-m-tolyl-5H-cyclopentapyrimidine
SpectraBase Compound ID LB2LpVkJTXE
InChI InChI=1S/C23H22N2S/c1-15-6-4-8-17(12-15)14-18-10-11-20-21(18)22(25-23(24-20)26-3)19-9-5-7-16(2)13-19/h4-9,12-14H,10-11H2,1-3H3
InChIKey QPBDTKULDKZXOS-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H22N2S
Exact Mass 358.15037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRTBqYbj2OO
Name 6,7-DIHYDRO-5-(m-METHYLBENZYLIDENE)-2-(METHYLTHIO)-4-m-TOLYL-5H-CYCLOPENTAPYRIMIDINE
Source of Sample G.H. Elgemeie & S.S. Al-Kaabi, Qatar University, State of Qatar
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2S
InChI InChI=1S/C23H22N2S/c1-15-6-4-8-17(12-15)14-18-10-11-20-21(18)22(25-23(24-20)26-3)19-9-5-7-16(2)13-19/h4-9,12-14H,10-11H2,1-3H3
InChIKey QPBDTKULDKZXOS-UHFFFAOYSA-N
Melting Point 110C
Molecular Weight 358.51
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 5H-CYCLOPENTAPYRIMIDINE, 6,7-DIHYDRO- 5-/M-METHYLBENZYLIDENE/-2-/METHYLTHIO/- 4-M-TOLYL-,